SCHEMBL2465149

SCHEMBL2465149

COc1ccc(-c2cc(=O)c3cc(OC)ccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 1.00
HPGD P15428 11/20 1.00
KDM4E B2RXH2 9/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
LMNA P02545 4/20 0.86
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
MAPT P10636 2/20 0.74
MAPK1 P28482 2/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6534282 0.91 HPGD (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL6688057 0.90 HPGD (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL15233668 0.88 ALDH1A1 (0.78) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL31237652 0.87 ALDH1A1 (0.82) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL6534639 0.86 HPGD (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL29411859 0.86 HPGD (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL25910937 0.85 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL31552893 0.85 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL2799908 0.83 HPGD (0.76) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL13232473 0.82 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542239-B1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2015-11-11 EP disclosed
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 US disclosed
EP-2542239-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2013-01-09 EP disclosed
WO-2011107709-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2011-09-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME GNAQ, HCCS, SDHA ALDH1A1 2507/4885HPGD 61/4885KDM4E 1796/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.